(2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol

C6H13O3P — CID 156673819

IUPAC(2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol
SMILESCC1(CO)COC(P)CO1
InChIInChI=1S/C6H13O3P/c1-6(3-7)4-8-5(10)2-9-6/h5,7H,2-4,10H2,1H3
InChIKeyJHCJXKMILVUTJS-UHFFFAOYSA-N
MW164.14 g/mol
LogP-0.01
Rot. Bonds1

About (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol

(2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol (PubChem CID 156673819) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name(2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol
PubChem CID156673819
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name(2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol
SMILESCC1(CO)COC(P)CO1
InChIInChI=1S/C6H13O3P/c1-6(3-7)4-8-5(10)2-9-6/h5,7H,2-4,10H2,1H3
InChIKeyJHCJXKMILVUTJS-UHFFFAOYSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol?
The IUPAC name of (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol (CID 156673819) is (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol.
What is the SMILES notation for (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol?
The canonical SMILES for (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol is CC1(CO)COC(P)CO1.
What is the InChIKey of (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol?
The InChIKey is JHCJXKMILVUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-6(3-7)4-8-5(10)2-9-6/h5,7H,2-4,10H2,1H3.
What are the key properties of (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol?
(2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol has a molecular weight of 164.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phosphanyl-1,4-dioxan-2-yl)methanol is sourced from PubChem (CID 156673819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).